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Quercetol C

CAT: 0931-T126257-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T126257-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
119061-08-4
Target
Others
Related Pathways
Others
Bioactivity
Quercetol C is a useful organic compound for research related to life sciences. The catalog number is T126257 and the CAS number is 119061-08-4.
Smiles
COc1cc(OC)c2C(=O)C[C@H](Oc2c1\C=C\C(C)(C)O)c1ccccc1
Molecular Formula
C22H24O5
Molecular Weight
368.429
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CAS Number119061-08-4
PubChem CID15714488
IUPAC Name(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Molecular FormulaC22H24O5
Molecular Weight368.4
XLogP3.2
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity537
SMILES
CC(C)(/C=C/C1=C2C(=C(C=C1OC)OC)C(=O)C[C@H](O2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H24O5/c1-22(2,24)11-10-15-18(25-3)13-19(26-4)20-16(23)12-17(27-21(15)20)14-8-6-5-7-9-14/h5-11,13,17,24H,12H2,1-4H3/b11-10+/t17-/m0/s1
InChIKey
DKYFESWWIPJYTA-DVQDXYAYSA-N
Chemical Structure
2D Structure
2D structure of (2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
CAS: 119061-08-4
CID: 15714488
Formula: C22H24O5
MW: 368.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass368.16237386
Monoisotopic Mass368.16237386
Topological Polar Surface Area65 Ų
Heavy Atom Count27
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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